1-quinazolin-2-yl-4-sulfanylpyrrolidin-2-one

C12H11N3OS — CID 168710740

IUPAC1-quinazolin-2-yl-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1c1ncc2ccccc2n1
InChIInChI=1S/C12H11N3OS/c16-11-5-9(17)7-15(11)12-13-6-8-3-1-2-4-10(8)14-12/h1-4,6,9,17H,5,7H2
InChIKeyVUSNNPJHPABKKZ-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.66
Rot. Bonds1

About 1-quinazolin-2-yl-4-sulfanylpyrrolidin-2-one

1-quinazolin-2-yl-4-sulfanylpyrrolidin-2-one (PubChem CID 168710740) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 1-quinazolin-2-yl-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-quinazolin-2-yl-4-sulfanylpyrrolidin-2-one
PubChem CID168710740
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name1-quinazolin-2-yl-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1c1ncc2ccccc2n1
InChIInChI=1S/C12H11N3OS/c16-11-5-9(17)7-15(11)12-13-6-8-3-1-2-4-10(8)14-12/h1-4,6,9,17H,5,7H2
InChIKeyVUSNNPJHPABKKZ-UHFFFAOYSA-N
XLogP1.66
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-quinazolin-2-yl-4-sulfanylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-aminopyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168710625
4-amino-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyrimidine-5-carbonitrile
CID 168710214
[2-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyrimidin-5-yl]boronic acid
CID 168710746
1-(1,3-benzothiazol-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168710737
1-(2-chloroquinolin-4-yl)-4-sulfanylpyrrolidin-2-one
CID 168710443
methyl 2-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyrimidine-5-carboxylate
CID 168708485
1-[4-(3-bromophenyl)pyrimidin-2-yl]-4-sulfanylpyrrolidin-2-one
CID 168710760
4-amino-1-(5-bromoquinazolin-2-yl)pyrrolidin-2-one
CID 168701329
1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one
CID 168710654
2-(3,5-dimethylpiperazin-1-yl)quinazoline
CID 22636321
4-(chloromethyl)-1-(5-chloroquinazolin-2-yl)pyrrolidin-2-one
CID 168509673
1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168709962

Frequently Asked Questions

What is the IUPAC name of 1-quinazolin-2-yl-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-quinazolin-2-yl-4-sulfanylpyrrolidin-2-one (CID 168710740) is 1-quinazolin-2-yl-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-quinazolin-2-yl-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-quinazolin-2-yl-4-sulfanylpyrrolidin-2-one is O=C1CC(S)CN1c1ncc2ccccc2n1.
What is the InChIKey of 1-quinazolin-2-yl-4-sulfanylpyrrolidin-2-one?
The InChIKey is VUSNNPJHPABKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c16-11-5-9(17)7-15(11)12-13-6-8-3-1-2-4-10(8)14-12/h1-4,6,9,17H,5,7H2.
What are the key properties of 1-quinazolin-2-yl-4-sulfanylpyrrolidin-2-one?
1-quinazolin-2-yl-4-sulfanylpyrrolidin-2-one has a molecular weight of 245.31 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinazolin-2-yl-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168710740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).